SCHEMBL627191

SCHEMBL627191

COc1ccccc1OC1C(=O)N=C(c2ncccn2)NC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
PKM P14618 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
HSD11B1 P28845 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR1A P08908 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13430583 0.91
SCHEMBL7303932 0.80 ALDH1A1 (0.40) RAB9APKMNPC1TP53POLB
SCHEMBL7302610 0.80 CLK4 (0.44) PKMCA2POLBLMNAHTT
SCHEMBL7297774 0.79 FYN (0.39) KDM4ELMNASMN1; SMN2TDP1ALDH1A1
SCHEMBL7293097 0.79 STK10 (0.40) STK10SLKCYP3A4
SCHEMBL629944 0.79 HSD11B1 (0.43) RAB9APKMHSD11B1L3MBTL1POLB
SCHEMBL7444756 0.78 FYN (0.39) KDM4EHTTSMN1; SMN2STK10SLK
SCHEMBL7303598 0.77 CA12 (0.35) RAB9ATP53CA12CA1CA2
SCHEMBL7293888 0.77 CA12 (0.35) RAB9AHSD11B1CA12CA1CA2
SCHEMBL7296783 0.76 DDB1 (0.37) PKMCA12CA1CA2CA4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119823052-A Preparation method of bosentan 致卓医药科技(北京)有限责任公司 2025-04-15 CN claimed
CN-114907275-A Preparation method of bosentan 武汉工程大学 2022-08-16 CN claimed
CN-119823052-B Preparation method of bosentan 致卓医药科技(北京)有限责任公司 2025-11-25 CN disclosed
CN-119823052-A Preparation method of bosentan 致卓医药科技(北京)有限责任公司 2025-04-15 CN disclosed
CN-119823052-A Preparation method of bosentan 致卓医药科技(北京)有限责任公司 2025-04-15 CN disclosed
CN-114907275-A Preparation method of bosentan 武汉工程大学 2022-08-16 CN disclosed
EP-2603497-B1 A NOVEL PROCESS FOR PREPARATION OF BOSENTAN MEGAFINE PHARMA P LTD (IN) 2018-08-08 EP disclosed
US-9139537-B2 Process for preparation of bosentan MEGAFINE PHARMA(P) LTD. (IN) 2015-09-22 US disclosed
US-20130296560-A1 Novel Process For Preparation Of Bosentan MEGAFINE PHARMA (P) LTD. (IN) 2013-11-07 US disclosed
EP-2603497-A1 A NOVEL PROCESS FOR PREPARATION OF BOSENTAN Megafine Pharma (P) Ltd. (IN) 2013-06-19 EP disclosed
US-20120136015-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) SANDOZ AG (CH) 2012-05-31 US disclosed
WO-2009093127-A2 SUBSTANTIALLY PURE AND A STABLE CRYSTALLINE FORM OF BOSENTAN ACTAVIS GROUP PTC EHF (IS) 2009-07-30 WO disclosed
WO-2009047637-A1 NOVEL POLYMORPHS OF BOSENTAN ACTAVIS GROUP PTC EHF (IS) 2009-04-16 WO disclosed
US-20090069351-A1 DEUTERIUM-ENRICHED BOSENTAN PROTIA, LLC (US) 2009-03-12 US disclosed
US-20090069351-A1 DEUTERIUM-ENRICHED BOSENTAN PROTIA, LLC (US) 2009-03-12 US disclosed
WO-2008122020-A1 SUBSTITUTED PYRIMIDINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-09 WO disclosed
WO-2008122020-A1 SUBSTITUTED PYRIMIDINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-09 WO disclosed
US-20080242687-A1 SUBSTITUTED PYRIMIDINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-02 US disclosed
US-20080242687-A1 SUBSTITUTED PYRIMIDINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-02 US disclosed
US-20080242687-A1 SUBSTITUTED PYRIMIDINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-10-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090069351-A1 DEUTERIUM-ENRICHED BOSENTAN AVPR2, BDKRB2, AVPR1B RAB9A 2358/4885PKM 3361/4885NPC1 2506/4885
US-20080242687-A1 SUBSTITUTED PYRIMIDINES EDNRB, EDNRA, ECE1 RAB9A 4007/4885PKM 1104/4885NPC1 2006/4885
US-20120136015-A1 PROCESS FOR PREPARATION OF ENDOTHELIAL RECEPTOR ANTAGONIST (BOSENTAN) EDNRA, EDNRB, TBXA2R RAB9A 3942/4885PKM 2501/4885NPC1 4632/4885
US-20130296560-A1 Novel Process For Preparation Of Bosentan BMP6, EDNRB, PAH RAB9A 1246/4885PKM 2609/4885NPC1 4162/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.